5-(4,4-difluoropiperidin-1-yl)-2-[[6-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-2,7-naphthyridin-1-one

C29H34F2N6O — CID 168970873

IUPAC5-(4,4-difluoropiperidin-1-yl)-2-[[6-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-2,7-naphthyridin-1-one
SMILESCC1(C)CCN(Cc2ccc3nc(Cn4ccc5c(N6CCC(F)(F)CC6)cncc5c4=O)cn3c2)CC1
InChIInChI=1S/C29H34F2N6O/c1-28(2)6-11-34(12-7-28)17-21-3-4-26-33-22(20-37(26)18-21)19-36-10-5-23-24(27(36)38)15-32-16-25(23)35-13-8-29(30,31)9-14-35/h3-5,10,15-16,18,20H,6-9,11-14,17,19H2,1-2H3
InChIKeyAPYAXCYZOCHERU-UHFFFAOYSA-N
MW520.63 g/mol
LogP4.95
Rot. Bonds5

About 5-(4,4-difluoropiperidin-1-yl)-2-[[6-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-2,7-naphthyridin-1-one

5-(4,4-difluoropiperidin-1-yl)-2-[[6-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-2,7-naphthyridin-1-one (PubChem CID 168970873) has the molecular formula C29H34F2N6O and a molecular weight of 520.63 g/mol. Its IUPAC name is 5-(4,4-difluoropiperidin-1-yl)-2-[[6-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name5-(4,4-difluoropiperidin-1-yl)-2-[[6-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-2,7-naphthyridin-1-one
PubChem CID168970873
Molecular FormulaC29H34F2N6O
Molecular Weight520.63 g/mol
Exact Mass520.28
IUPAC Name5-(4,4-difluoropiperidin-1-yl)-2-[[6-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-2,7-naphthyridin-1-one
SMILESCC1(C)CCN(Cc2ccc3nc(Cn4ccc5c(N6CCC(F)(F)CC6)cncc5c4=O)cn3c2)CC1
InChIInChI=1S/C29H34F2N6O/c1-28(2)6-11-34(12-7-28)17-21-3-4-26-33-22(20-37(26)18-21)19-36-10-5-23-24(27(36)38)15-32-16-25(23)35-13-8-29(30,31)9-14-35/h3-5,10,15-16,18,20H,6-9,11-14,17,19H2,1-2H3
InChIKeyAPYAXCYZOCHERU-UHFFFAOYSA-N
XLogP4.95
TPSA58.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.63
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-(4,4-difluoropiperidin-1-yl)-2-[[6-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-2,7-naphthyridin-1-one with MolForge

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Related Compounds

5-(2,7-diazaspiro[3.5]nonan-2-yl)-2-[[6-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-2,7-naphthyridin-1-one
CID 168970918
2-[[6-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-5-(2-pyridin-4-ylethynyl)-2,7-naphthyridin-1-one
CID 168970740
1-[[2-[(5-bromo-1-oxo-2,7-naphthyridin-2-yl)methyl]imidazo[1,2-a]pyridin-6-yl]methyl]-4-methylpiperidine-4-carbonitrile
CID 168971081
5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-2-[[6-(2-oxa-7-azaspiro[4.4]nonan-7-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-2,7-naphthyridin-1-one
CID 168970995
2-[[5-[3-(4-fluorophenyl)azetidin-1-yl]-1-oxo-2,7-naphthyridin-2-yl]methyl]imidazo[1,2-a]pyridine-6-carbaldehyde
CID 168970796
5-bromo-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2,7-naphthyridin-1-one
CID 168971066
2-[[6-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-2,7-naphthyridin-1-one;ethane
CID 168971053
5-hydroxy-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2,7-naphthyridin-1-one
CID 168970759
2-[[6-[(cyclobutylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-5-methoxy-2,7-naphthyridin-1-one
CID 171801805
5-(2-fluorophenyl)-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2,7-naphthyridin-1-one
CID 168971104
2-(azidomethyl)-6-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine
CID 170425604
2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5-(1-methylsulfonylpyrazol-4-yl)-2,7-naphthyridin-1-one
CID 168971064

Frequently Asked Questions

What is the IUPAC name of 5-(4,4-difluoropiperidin-1-yl)-2-[[6-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-2,7-naphthyridin-1-one?
The IUPAC name of 5-(4,4-difluoropiperidin-1-yl)-2-[[6-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-2,7-naphthyridin-1-one (CID 168970873) is 5-(4,4-difluoropiperidin-1-yl)-2-[[6-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-2,7-naphthyridin-1-one.
What is the SMILES notation for 5-(4,4-difluoropiperidin-1-yl)-2-[[6-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-2,7-naphthyridin-1-one?
The canonical SMILES for 5-(4,4-difluoropiperidin-1-yl)-2-[[6-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-2,7-naphthyridin-1-one is CC1(C)CCN(Cc2ccc3nc(Cn4ccc5c(N6CCC(F)(F)CC6)cncc5c4=O)cn3c2)CC1.
What is the InChIKey of 5-(4,4-difluoropiperidin-1-yl)-2-[[6-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-2,7-naphthyridin-1-one?
The InChIKey is APYAXCYZOCHERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34F2N6O/c1-28(2)6-11-34(12-7-28)17-21-3-4-26-33-22(20-37(26)18-21)19-36-10-5-23-24(27(36)38)15-32-16-25(23)35-13-8-29(30,31)9-14-35/h3-5,10,15-16,18,20H,6-9,11-14,17,19H2,1-2H3.
What are the key properties of 5-(4,4-difluoropiperidin-1-yl)-2-[[6-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-2,7-naphthyridin-1-one?
5-(4,4-difluoropiperidin-1-yl)-2-[[6-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-2,7-naphthyridin-1-one has a molecular weight of 520.63 g/mol, XLogP of 4.95, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4-difluoropiperidin-1-yl)-2-[[6-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-2,7-naphthyridin-1-one is sourced from PubChem (CID 168970873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).